(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol

C14H13BrO3 — CID 104542917

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol
SMILESCc1occc1C(O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H13BrO3/c1-8-11(3-5-17-8)13(16)12-7-10(15)6-9-2-4-18-14(9)12/h3,5-7,13,16H,2,4H2,1H3
InChIKeyBOZVPMPEKAPCJA-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.37
Rot. Bonds2

About (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol (PubChem CID 104542917) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol
PubChem CID104542917
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol
SMILESCc1occc1C(O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H13BrO3/c1-8-11(3-5-17-8)13(16)12-7-10(15)6-9-2-4-18-14(9)12/h3,5-7,13,16H,2,4H2,1H3
InChIKeyBOZVPMPEKAPCJA-UHFFFAOYSA-N
XLogP3.37
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol
CID 104542859
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylsulfanylphenyl)methanol
CID 104542861
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-ethoxyphenyl)methanol
CID 104542962
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine
CID 104541452
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269234
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-ethylfuran-2-yl)methanol
CID 104542868
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol
CID 141414346

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol (CID 104542917) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol is Cc1occc1C(O)c1cc(Br)cc2c1OCC2.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol?
The InChIKey is BOZVPMPEKAPCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-8-11(3-5-17-8)13(16)12-7-10(15)6-9-2-4-18-14(9)12/h3,5-7,13,16H,2,4H2,1H3.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol has a molecular weight of 309.16 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol is sourced from PubChem (CID 104542917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).